SCHEMBL7809708

SCHEMBL7809708

COc1ccc2[nH]c(=O)c(C(C)=O)c(SC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.49
GAA P10253 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
GFER P55789 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7804205 0.89 KDM4E (0.48) ALDH1A1KDM4EGAAPOLBTDP1
SCHEMBL7804167 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGAAPOLBTDP1
SCHEMBL7813180 0.81 KDM4E (0.44) ALDH1A1KDM4EGAAPARP1PADI4
SCHEMBL7816798 0.78 KIF11 (0.43) KDM4ETDP1MEN1KMT2APADI4
SCHEMBL29612326 0.77 KDM4E (0.65) ALDH1A1KDM4EGAAPOLBTDP1
SCHEMBL7816823 0.77 KDM4E (0.65) ALDH1A1KDM4EGAAPOLBTDP1
SCHEMBL9144077 0.77 TUBB4A (0.54) ALDH1A1KDM4EGAAPOLBTDP1
SCHEMBL9144519 0.77 TUBB4A (0.71) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL9248202 0.76 PARP1 (0.52) ALDH1A1KDM4EGAAPOLBL3MBTL1
SCHEMBL7804166 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGAAPOLBTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533882-B1 2-QUINOLINONE DERIVATIVES, METHODS FOR PREPARING THE SAME AND FUNGICIDES AND INSECTICIDES INCLUDING THEM KOREA RES INST CHEM TECH (KR) 2001-02-07 EP disclosed
US-5430153-A Insecticides, fungicides KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-04 US disclosed
EP-0533882-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-03-31 EP disclosed
WO-1992017452-A1 2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-10-15 WO disclosed